5-chloranyl-1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-isopropyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(4,6-dimethyl-2-pyrimidinyl)-3-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-isopropyl-pyrazole-4-carboxylic acid Formula: C13H15ClN4O2 MolecularWeight: 294.7368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C(C)C)C(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C(C)C)C(=O)O)Cl)C

InChI

InChI=1S/C13H15ClN4O2/c1-6(2)10-9(12(19)20)11(14)18(17-10)13-15-7(3)5-8(4)16-13/h5-6H,1-4H3,(H,19,20)